2-(3-chloropropyl)-1-decylpyrrolidine

C17H34ClN — CID 63388574

IUPAC2-(3-chloropropyl)-1-decylpyrrolidine
SMILESCCCCCCCCCCN1CCCC1CCCCl
InChIInChI=1S/C17H34ClN/c1-2-3-4-5-6-7-8-9-15-19-16-11-13-17(19)12-10-14-18/h17H,2-16H2,1H3
InChIKeyWKJDBFALMIAWHQ-UHFFFAOYSA-N
MW287.92 g/mol
LogP5.61
Rot. Bonds12

About 2-(3-chloropropyl)-1-decylpyrrolidine

2-(3-chloropropyl)-1-decylpyrrolidine (PubChem CID 63388574) has the molecular formula C17H34ClN and a molecular weight of 287.92 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-decylpyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-decylpyrrolidine
PubChem CID63388574
Molecular FormulaC17H34ClN
Molecular Weight287.92 g/mol
Exact Mass287.24
IUPAC Name2-(3-chloropropyl)-1-decylpyrrolidine
SMILESCCCCCCCCCCN1CCCC1CCCCl
InChIInChI=1S/C17H34ClN/c1-2-3-4-5-6-7-8-9-15-19-16-11-13-17(19)12-10-14-18/h17H,2-16H2,1H3
InChIKeyWKJDBFALMIAWHQ-UHFFFAOYSA-N
XLogP5.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.92
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-dodecylpyrrolidine;formonitrile
CID 175874902
2-butyl-1-hexylpiperidine
CID 171569565
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
3-(1-pentylpyrrolidin-2-yl)propan-1-amine
CID 63762476
2-ethyl-1-undecylpyrrolidine
CID 171569857
2-butyl-1-dodecylpyrrolidine;methanesulfonic acid
CID 175583822
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513
1-pentyl-2-propylpiperidine
CID 54429991
2-(3-methoxypropyl)-1-pentylpyrrolidine
CID 167067724
2-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413024
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-decylpyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-decylpyrrolidine (CID 63388574) is 2-(3-chloropropyl)-1-decylpyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-decylpyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-decylpyrrolidine is CCCCCCCCCCN1CCCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-decylpyrrolidine?
The InChIKey is WKJDBFALMIAWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34ClN/c1-2-3-4-5-6-7-8-9-15-19-16-11-13-17(19)12-10-14-18/h17H,2-16H2,1H3.
What are the key properties of 2-(3-chloropropyl)-1-decylpyrrolidine?
2-(3-chloropropyl)-1-decylpyrrolidine has a molecular weight of 287.92 g/mol, XLogP of 5.61, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-decylpyrrolidine is sourced from PubChem (CID 63388574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).